5-N-[4-[(2-chloro-4,6-difluorophenyl)carbamoyl]cyclohexyl]-5-N-(2-methoxypropyl)-1H-imidazole-4,5-dicarboxamide

C22H26ClF2N5O4 — CID 122672364

IUPAC5-N-[4-[(2-chloro-4,6-difluorophenyl)carbamoyl]cyclohexyl]-5-N-(2-methoxypropyl)-1H-imidazole-4,5-dicarboxamide
SMILESCOC(C)CN(C(=O)c1[nH]cnc1C(N)=O)C1CCC(C(=O)Nc2c(F)cc(F)cc2Cl)CC1
InChIInChI=1S/C22H26ClF2N5O4/c1-11(34-2)9-30(22(33)19-18(20(26)31)27-10-28-19)14-5-3-12(4-6-14)21(32)29-17-15(23)7-13(24)8-16(17)25/h7-8,10-12,14H,3-6,9H2,1-2H3,(H2,26,31)(H,27,28)(H,29,32)
InChIKeySMYJAQCURNTRRT-UHFFFAOYSA-N
MW497.93 g/mol
LogP3.11
Rot. Bonds8

About 5-N-[4-[(2-chloro-4,6-difluorophenyl)carbamoyl]cyclohexyl]-5-N-(2-methoxypropyl)-1H-imidazole-4,5-dicarboxamide

5-N-[4-[(2-chloro-4,6-difluorophenyl)carbamoyl]cyclohexyl]-5-N-(2-methoxypropyl)-1H-imidazole-4,5-dicarboxamide (PubChem CID 122672364) has the molecular formula C22H26ClF2N5O4 and a molecular weight of 497.93 g/mol. Its IUPAC name is 5-N-[4-[(2-chloro-4,6-difluorophenyl)carbamoyl]cyclohexyl]-5-N-(2-methoxypropyl)-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[4-[(2-chloro-4,6-difluorophenyl)carbamoyl]cyclohexyl]-5-N-(2-methoxypropyl)-1H-imidazole-4,5-dicarboxamide
PubChem CID122672364
Molecular FormulaC22H26ClF2N5O4
Molecular Weight497.93 g/mol
Exact Mass497.16
IUPAC Name5-N-[4-[(2-chloro-4,6-difluorophenyl)carbamoyl]cyclohexyl]-5-N-(2-methoxypropyl)-1H-imidazole-4,5-dicarboxamide
SMILESCOC(C)CN(C(=O)c1[nH]cnc1C(N)=O)C1CCC(C(=O)Nc2c(F)cc(F)cc2Cl)CC1
InChIInChI=1S/C22H26ClF2N5O4/c1-11(34-2)9-30(22(33)19-18(20(26)31)27-10-28-19)14-5-3-12(4-6-14)21(32)29-17-15(23)7-13(24)8-16(17)25/h7-8,10-12,14H,3-6,9H2,1-2H3,(H2,26,31)(H,27,28)(H,29,32)
InChIKeySMYJAQCURNTRRT-UHFFFAOYSA-N
XLogP3.11
TPSA130.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.93
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-[4-[(2-chloro-4,6-difluorophenyl)carbamoyl]cyclohexyl]-5-N-(2-methoxypropyl)-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 5-N-[4-[(2-chloro-4,6-difluorophenyl)carbamoyl]cyclohexyl]-5-N-(2-methoxypropyl)-1H-imidazole-4,5-dicarboxamide (CID 122672364) is 5-N-[4-[(2-chloro-4,6-difluorophenyl)carbamoyl]cyclohexyl]-5-N-(2-methoxypropyl)-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 5-N-[4-[(2-chloro-4,6-difluorophenyl)carbamoyl]cyclohexyl]-5-N-(2-methoxypropyl)-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 5-N-[4-[(2-chloro-4,6-difluorophenyl)carbamoyl]cyclohexyl]-5-N-(2-methoxypropyl)-1H-imidazole-4,5-dicarboxamide is COC(C)CN(C(=O)c1[nH]cnc1C(N)=O)C1CCC(C(=O)Nc2c(F)cc(F)cc2Cl)CC1.
What is the InChIKey of 5-N-[4-[(2-chloro-4,6-difluorophenyl)carbamoyl]cyclohexyl]-5-N-(2-methoxypropyl)-1H-imidazole-4,5-dicarboxamide?
The InChIKey is SMYJAQCURNTRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClF2N5O4/c1-11(34-2)9-30(22(33)19-18(20(26)31)27-10-28-19)14-5-3-12(4-6-14)21(32)29-17-15(23)7-13(24)8-16(17)25/h7-8,10-12,14H,3-6,9H2,1-2H3,(H2,26,31)(H,27,28)(H,29,32).
What are the key properties of 5-N-[4-[(2-chloro-4,6-difluorophenyl)carbamoyl]cyclohexyl]-5-N-(2-methoxypropyl)-1H-imidazole-4,5-dicarboxamide?
5-N-[4-[(2-chloro-4,6-difluorophenyl)carbamoyl]cyclohexyl]-5-N-(2-methoxypropyl)-1H-imidazole-4,5-dicarboxamide has a molecular weight of 497.93 g/mol, XLogP of 3.11, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[4-[(2-chloro-4,6-difluorophenyl)carbamoyl]cyclohexyl]-5-N-(2-methoxypropyl)-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 122672364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).